BDBM50210754 CHEMBL3982215

SMILES: [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21

InChI Key: InChIKey=ANQRPBNHSKJQGO-KRWDZBQOSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50210754   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50210754 (CHEMBL3982215) Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50210754 (CHEMBL3982215) Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50210754 (CHEMBL3982215) Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho...				Eur J Med Chem 125: 255-268 (2017) Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T
					More data for this Ligand-Target Pair